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网站主页CAS数据库列表 17422-32-1更多图谱5-氯吲哚(17422-32-1)质谱(MS)

5-氯吲哚

产品名称 5-氯吲哚

CAS号17422-32-1

分子式C8H6ClN

分子量151.59

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  • Mass

    MS-NW-8840          
    5-chloroindole
    C8H6ClN             (Mass of molecular ion:    151)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.5
          38.0       1.1
          39.0       2.2
          50.0       1.3
          51.0       1.1
          57.5       4.5
          58.0       1.1
          61.0       1.2
          62.0       4.3
          63.0       6.9
          64.0       1.3
          73.0       2.0
          75.0       1.4
          75.5       8.6
          76.0       1.3
          76.5       2.7
          86.0       1.4
          87.0       2.5
          88.0       2.8
          89.0      26.4
          90.0       3.3
         114.0       2.2
         115.0       4.8
         116.0      19.3
         117.0       3.4
         123.0       4.7
         124.0      11.4
         125.0       2.4
         126.0       3.7
         150.0       3.4
         151.0     100.0
         152.0      10.3
         153.0      32.1
         154.0       3.0
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H6 Cl N 0.046 g : 0.5 ml CDCl3
    5-chloroindole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.0 B 7.591 C 7.196 D 7.12 E 7.12 F 6.453 J(A,E)=2.8HZ J(A,F)=2.0HZ J(B,C)=0.7HZ J(B,D)=2.0HZ J(C,D)=8.7HZ J(C,F)=0.8HZ J(E,F)=3.2HZ 90MHZ : HSP-04-949

         Hz     ppm     Int.
    

       3196.90   8.000     69
       3034.42   7.593    709
       3033.69   7.591    537
       3032.35   7.588    657
       2882.08   7.212    349
       2881.35   7.210    444
       2880.62   7.208    295
       2873.41   7.190    594
       2872.68   7.188    715
       2871.95   7.187    502
       2870.12   7.182     51
       2849.73   7.131    664
       2848.02   7.127   1000
       2845.21   7.120    620
       2842.41   7.113    502
       2841.43   7.110    447
       2839.36   7.105    376
       2581.79   6.461    355
       2580.93   6.458    385
       2579.83   6.456    414
       2578.74   6.453    546
       2577.76   6.451    373
       2576.66   6.448    348
       2575.68   6.445    311
    


  • 1H NMR 89.56 MHz
    C8 H6 Cl N 0.041 g : 0.5 ml CDCl3
    5-chloroindole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.1 B 7.597 C 7.225 D 7.17 E 7.14 F 6.471 J(B,E)=1.8HZ J(B,F)=2.0HZ J(C,E)=8.7HZ J(C,F)=0.8HZ J(D,F)=3.2HZ 400MHZ : HSP-44-098

         Hz     ppm     Int.
    

        681.94   7.615    285
        681.13   7.606    506
        680.19   7.595    423
        679.31   7.585    465
        678.50   7.576    282
        655.00   7.314    122
        654.19   7.305    202
        653.38   7.296    138
        646.31   7.217    508
        645.56   7.209    977
        644.75   7.200    551
        641.81   7.167   1000
        640.31   7.150    688
        638.56   7.130    347
        634.81   7.089    115
        633.50   7.074    176
        631.25   7.049    170
        582.38   6.503    240
        581.56   6.494    269
        580.38   6.481    250
        579.50   6.471    321
        578.38   6.459    247
        577.13   6.445    223
        576.31   6.435    211
    

in CDCl3



KBr disc



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